2-(3-phenylpropyl)-1,3-dioxolane

C12H16O2 — CID 10198030

IUPAC2-(3-phenylpropyl)-1,3-dioxolane
SMILESc1ccc(CCCC2OCCO2)cc1
InChIInChI=1S/C12H16O2/c1-2-5-11(6-3-1)7-4-8-12-13-9-10-14-12/h1-3,5-6,12H,4,7-10H2
InChIKeyRJRUWBWMTKARBF-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.38
Rot. Bonds4

About 2-(3-phenylpropyl)-1,3-dioxolane

2-(3-phenylpropyl)-1,3-dioxolane (PubChem CID 10198030) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-phenylpropyl)-1,3-dioxolane
PubChem CID10198030
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(3-phenylpropyl)-1,3-dioxolane
SMILESc1ccc(CCCC2OCCO2)cc1
InChIInChI=1S/C12H16O2/c1-2-5-11(6-3-1)7-4-8-12-13-9-10-14-12/h1-3,5-6,12H,4,7-10H2
InChIKeyRJRUWBWMTKARBF-UHFFFAOYSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-phenylpropyl)-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-1,3-dioxolane?
The IUPAC name of 2-(3-phenylpropyl)-1,3-dioxolane (CID 10198030) is 2-(3-phenylpropyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-phenylpropyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-phenylpropyl)-1,3-dioxolane is c1ccc(CCCC2OCCO2)cc1.
What is the InChIKey of 2-(3-phenylpropyl)-1,3-dioxolane?
The InChIKey is RJRUWBWMTKARBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-5-11(6-3-1)7-4-8-12-13-9-10-14-12/h1-3,5-6,12H,4,7-10H2.
What are the key properties of 2-(3-phenylpropyl)-1,3-dioxolane?
2-(3-phenylpropyl)-1,3-dioxolane has a molecular weight of 192.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-1,3-dioxolane is sourced from PubChem (CID 10198030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).